1,1-Dimethylethyl (3R,6E)-7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3-hydroxy-5-oxo-6-heptenoate

CAS Registry Number®

615556-96-2
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CAS Name

1,1-Dimethylethyl (3R,6E)-7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3-hydroxy-5-oxo-6-heptenoate

Molecular Formula

C26H34FN3O6S

Molecular Mass

535.63

Cite this Page

1,1-Dimethylethyl (3R,6E)-7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3-hydroxy-5-oxo-6-heptenoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=615556-96-2 (retrieved 2024-09-09) (CAS RN: 615556-96-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H34FN3O6S/c1-16(2)23-21(13-12-19(31)14-20(32)15-22(33)36-26(3,4)5)24(17-8-10-18(27)11-9-17)29-25(28-23)30(6)37(7,34)35/h8-13,16,20,32H,14-15H2,1-7H3/b13-12+/t20-/m1/s1

InChIKey

InChIKey=FFFKSDDUCCGFGT-DRUFCSCSSA-N

SMILES

C(=C/C(C[C@H](CC(OC(C)(C)C)=O)O)=O)\C=1C(=NC(N(S(C)(=O)=O)C)=NC1C(C)C)C2=CC=C(F)C=C2

Canonical SMILES

O=C(OC(C)(C)C)CC(O)CC(=O)C=CC=1C(=NC(=NC1C(C)C)N(C)S(=O)(=O)C)C=2C=CC(F)=CC2

Other Names for this Substance

  • 6-Heptenoic acid, 7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3-hydroxy-5-oxo-, 1,1-dimethylethyl ester, (3R,6E)-
  • 1,1-Dimethylethyl (3R,6E)-7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3-hydroxy-5-oxo-6-heptenoate